{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=68","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=66","results":[{"id":"mp-1198112","created_at":"2022-09-04T14:45:17.846747Z","structure_string":"Nb16 P16 Cl96 O32\n1.0\n0.002549 0.000000 15.108651\n17.574050 0.000000 -0.880731\n0.000000 17.733861 0.000000\nNb P Cl O\n16 16 96 32\ndirect\n0.041068 0.349858 0.506085 Nb\n0.458932 0.650142 0.006085 Nb\n0.958932 0.650142 0.493915 Nb\n0.541068 0.349858 0.993915 Nb\n0.872763 0.464531 0.390313 Nb\n0.627237 0.535469 0.890313 Nb\n0.127237 0.535469 0.609687 Nb\n0.372763 0.464531 0.109687 Nb\n0.063179 0.148962 0.986633 Nb\n0.436821 0.851038 0.486633 Nb\n0.936821 0.851038 0.013367 Nb\n0.563179 0.148962 0.513367 Nb\n0.847498 0.048485 0.068630 Nb\n0.652502 0.951515 0.568630 Nb\n0.152502 0.951515 0.931370 Nb\n0.347498 0.048485 0.431370 Nb\n0.963456 0.180833 0.389138 P\n0.536544 0.819167 0.889138 P\n0.036544 0.819167 0.610862 P\n0.463456 0.180833 0.110862 P\n0.762479 0.602282 0.267604 P\n0.737521 0.397718 0.767604 P\n0.237521 0.397718 0.732396 P\n0.262479 0.602282 0.232396 P\n0.978352 0.338505 0.038200 P\n0.521648 0.661495 0.538200 P\n0.021648 0.661495 0.961800 P\n0.478352 0.338505 0.461800 P\n0.681374 0.935592 0.183395 P\n0.818626 0.064408 0.683395 P\n0.318626 0.064408 0.816605 P\n0.181374 0.935592 0.316605 P\n0.923425 0.319129 0.589662 Cl\n0.576575 0.680871 0.089662 Cl\n0.076575 0.680871 0.410338 Cl\n0.423425 0.319129 0.910338 Cl\n0.130217 0.362643 0.396020 Cl\n0.369783 0.637357 0.896020 Cl\n0.869783 0.637357 0.603980 Cl\n0.630217 0.362643 0.103980 Cl\n0.133603 0.261342 0.560854 Cl\n0.366397 0.738658 0.060854 Cl\n0.866397 0.738658 0.439146 Cl\n0.633603 0.261342 0.939146 Cl\n0.010187 0.198681 0.285704 Cl\n0.489813 0.801319 0.785704 Cl\n0.989813 0.801319 0.714296 Cl\n0.510187 0.198681 0.214296 Cl\n0.836302 0.150018 0.377670 Cl\n0.663698 0.849982 0.877670 Cl\n0.163698 0.849982 0.622330 Cl\n0.336302 0.150018 0.122330 Cl\n0.021235 0.088574 0.427007 Cl\n0.478765 0.911426 0.927007 Cl\n0.978765 0.911426 0.572993 Cl\n0.521235 0.088574 0.072993 Cl\n0.973554 0.501670 0.292727 Cl\n0.526446 0.498330 0.792727 Cl\n0.026446 0.498330 0.707273 Cl\n0.473554 0.501670 0.207273 Cl\n0.754757 0.462387 0.478029 Cl\n0.745243 0.537613 0.978029 Cl\n0.245243 0.537613 0.521971 Cl\n0.254757 0.462387 0.021971 Cl\n0.799320 0.373298 0.312868 Cl\n0.700680 0.626702 0.812868 Cl\n0.200680 0.626702 0.687132 Cl\n0.299320 0.373298 0.187132 Cl\n0.858899 0.676920 0.235939 Cl\n0.641101 0.323080 0.735939 Cl\n0.141101 0.323080 0.764061 Cl\n0.358899 0.676920 0.264061 Cl\n0.659568 0.664361 0.291965 Cl\n0.840432 0.335639 0.791965 Cl\n0.340432 0.335639 0.708035 Cl\n0.159568 0.664361 0.208035 Cl\n0.729545 0.544111 0.175409 Cl\n0.770455 0.455889 0.675409 Cl\n0.270455 0.455889 0.824591 Cl\n0.229545 0.544111 0.324591 Cl\n0.986810 0.170964 0.872567 Cl\n0.513190 0.829036 0.372567 Cl\n0.013190 0.829036 0.127433 Cl\n0.486810 0.170964 0.627433 Cl\n0.106861 0.151686 0.115809 Cl\n0.393139 0.848314 0.615809 Cl\n0.893139 0.848314 0.884191 Cl\n0.606861 0.151686 0.384191 Cl\n0.182315 0.233242 0.954482 Cl\n0.317685 0.766758 0.454482 Cl\n0.817685 0.766758 0.045518 Cl\n0.682315 0.233242 0.545518 Cl\n0.015078 0.403694 0.950221 Cl\n0.484922 0.596306 0.450221 Cl\n0.984922 0.596306 0.049779 Cl\n0.515078 0.403694 0.549779 Cl\n0.853378 0.360612 0.058844 Cl\n0.646622 0.639388 0.558844 Cl\n0.146622 0.639388 0.941156 Cl\n0.353378 0.360612 0.441156 Cl\n0.047469 0.378982 0.126023 Cl\n0.452531 0.621018 0.626023 Cl\n0.952531 0.621018 0.873977 Cl\n0.547469 0.378982 0.373977 Cl\n0.909906 0.021737 0.187782 Cl\n0.590094 0.978263 0.687782 Cl\n0.090094 0.978263 0.812218 Cl\n0.409906 0.021737 0.312218 Cl\n0.758214 0.040313 0.959636 Cl\n0.741786 0.959687 0.459636 Cl\n0.241786 0.959687 0.040364 Cl\n0.258214 0.040313 0.540364 Cl\n0.775523 0.152294 0.117508 Cl\n0.724477 0.847706 0.617508 Cl\n0.224477 0.847706 0.882492 Cl\n0.275523 0.152294 0.382492 Cl\n0.647941 0.007681 0.263221 Cl\n0.852059 0.992319 0.763221 Cl\n0.352059 0.992319 0.736779 Cl\n0.147941 0.007681 0.236779 Cl\n0.751029 0.858546 0.236024 Cl\n0.748971 0.141454 0.736024 Cl\n0.248971 0.141454 0.763976 Cl\n0.251029 0.858546 0.263976 Cl\n0.568781 0.880730 0.152181 Cl\n0.931219 0.119270 0.652181 Cl\n0.431219 0.119270 0.847819 Cl\n0.068781 0.880730 0.347819 Cl\n0.978339 0.246530 0.440673 O\n0.521661 0.753470 0.940673 O\n0.021661 0.753470 0.559327 O\n0.478339 0.246530 0.059327 O\n0.785732 0.553924 0.332510 O\n0.714268 0.446076 0.832510 O\n0.214268 0.446076 0.667490 O\n0.285732 0.553924 0.167490 O\n0.916391 0.565490 0.445158 O\n0.583609 0.434510 0.945158 O\n0.083609 0.434510 0.554842 O\n0.416391 0.565490 0.054842 O\n0.945951 0.404434 0.441457 O\n0.554049 0.595566 0.941457 O\n0.054049 0.595566 0.558543 O\n0.445951 0.404434 0.058543 O\n0.990013 0.256621 0.023708 O\n0.509987 0.743379 0.523708 O\n0.009987 0.743379 0.976292 O\n0.490013 0.256621 0.476292 O\n0.727521 0.971960 0.117672 O\n0.772479 0.028040 0.617672 O\n0.272479 0.028040 0.882328 O\n0.227521 0.971960 0.382328 O\n0.888164 0.939109 0.039569 O\n0.611836 0.060891 0.539569 O\n0.111836 0.060891 0.960431 O\n0.388164 0.939109 0.460431 O\n0.943764 0.098495 0.027415 O\n0.556236 0.901505 0.527415 O\n0.056236 0.901505 0.972585 O\n0.443764 0.098495 0.472585 O\n","nsites":160,"nelements":4,"elements":["Nb","P","Cl","O"],"chemical_system":"Cl-Nb-O-P","density":2.0797746905960763,"density_atomic":0.03397938103399481,"volume":4708.737920797537,"volume_molar":17.722926600620315,"formula_full":"Nb16 P16 Cl96 O32","formula_reduced":"NbP(Cl3O)2","formula_anonymous":"ABC2D6","energy":-885.55690344,"energy_per_atom":-5.5347306465,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-804.62890344,"band_gap":2.6726,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0120248,"is_theoretical":false,"updated_at":"2021-11-28T01:36:54.875000Z","spacegroup":14},{"id":"mp-686499","created_at":"2022-09-04T14:45:13.767069Z","structure_string":"Ba32 Sb7 Pb25 O96\n1.0\n8.670677 0.000160 0.001102\n0.001262 15.489139 7.746293\n0.002461 -0.014184 19.394129\nBa Sb Pb O\n32 7 25 96\ndirect\n0.250062 0.061859 0.125622 Ba\n0.248570 0.563414 0.123496 Ba\n0.249380 0.312410 0.624905 Ba\n0.248732 0.811469 0.626223 Ba\n0.249138 0.314548 0.124271 Ba\n0.249222 0.063036 0.624704 Ba\n0.249784 0.438735 0.374498 Ba\n0.251140 0.187732 0.375270 Ba\n0.251572 0.812771 0.125310 Ba\n0.247957 0.561459 0.625516 Ba\n0.250179 0.938007 0.375584 Ba\n0.250570 0.186599 0.876711 Ba\n0.248984 0.687995 0.375326 Ba\n0.250922 0.686977 0.875545 Ba\n0.252224 0.436625 0.874980 Ba\n0.249025 0.937214 0.875482 Ba\n0.750363 0.062447 0.125558 Ba\n0.751030 0.314065 0.124246 Ba\n0.750757 0.062862 0.625357 Ba\n0.749591 0.563825 0.124812 Ba\n0.750428 0.312980 0.624311 Ba\n0.751178 0.813409 0.124169 Ba\n0.751497 0.437829 0.375152 Ba\n0.750379 0.186777 0.875312 Ba\n0.751304 0.562091 0.625419 Ba\n0.750603 0.937147 0.375942 Ba\n0.749073 0.812425 0.625802 Ba\n0.749113 0.687045 0.875835 Ba\n0.750616 0.188428 0.373879 Ba\n0.750272 0.686777 0.375387 Ba\n0.752914 0.436692 0.876144 Ba\n0.747561 0.937747 0.875315 Ba\n0.000613 0.999445 0.000285 Sb\n0.500109 0.124869 0.250503 Sb\n0.499407 0.875249 0.749628 Sb\n0.000765 0.499909 0.000051 Sb\n0.000411 0.251503 0.500008 Sb\n0.000491 0.500046 0.500041 Sb\n-0.000020 0.748483 0.500571 Sb\n0.999123 0.874490 0.750373 Pb\n0.500616 0.625475 0.249743 Pb\n0.499829 0.374286 0.750522 Pb\n0.500525 0.249013 0.002227 Pb\n0.500007 0.373874 0.249944 Pb\n0.500749 0.876568 0.250624 Pb\n0.500150 -0.000056 0.000234 Pb\n0.498708 0.123174 0.750026 Pb\n0.500118 0.751033 0.998324 Pb\n0.500264 0.500173 0.000094 Pb\n0.500498 0.250664 0.499833 Pb\n0.499617 0.500203 0.499896 Pb\n0.500846 0.626071 0.750127 Pb\n0.499440 0.000237 0.500299 Pb\n0.500225 0.749614 0.500432 Pb\n0.000274 0.125392 0.250098 Pb\n0.000475 0.249750 0.000161 Pb\n-0.000046 0.375288 0.250002 Pb\n0.999839 0.749852 -0.000090 Pb\n0.000722 0.624714 0.250893 Pb\n0.999276 0.124218 0.750440 Pb\n0.999496 0.374997 0.748883 Pb\n0.000593 0.875186 0.250071 Pb\n0.000641 0.624490 0.750707 Pb\n0.999313 0.000199 0.500139 Pb\n0.002783 0.116459 0.001142 O\n0.999797 0.383032 0.999046 O\n0.999117 0.881455 0.001107 O\n0.000424 0.940818 0.117505 O\n0.000953 0.058033 0.882888 O\n0.999703 0.806319 0.383969 O\n0.249346 0.250886 0.000580 O\n0.249214 0.750542 0.996435 O\n0.249387 0.001231 0.499569 O\n0.231938 0.501018 0.499721 O\n0.248627 0.373127 0.249755 O\n0.247567 0.122077 0.748627 O\n0.249234 0.877156 0.250524 O\n0.249391 0.625955 0.748722 O\n0.265378 0.125467 0.251146 O\n0.247925 0.623208 0.251040 O\n0.246846 0.376663 0.748783 O\n0.264814 0.872723 0.751457 O\n0.235444 0.997878 0.000282 O\n0.235458 0.499350 0.000739 O\n0.233983 0.251002 0.501783 O\n0.233623 0.747539 0.499552 O\n0.501928 0.243048 0.248669 O\n0.500074 0.067521 0.367899 O\n0.496649 0.992520 0.749897 O\n0.501243 0.375394 0.000812 O\n0.498012 0.749651 0.252597 O\n0.497599 0.124433 0.000041 O\n0.499617 0.125834 0.499226 O\n0.499734 0.310502 0.375876 O\n0.501609 0.561191 0.376909 O\n0.499167 0.311399 0.876358 O\n0.500799 0.181635 0.132878 O\n0.499817 0.375557 0.499113 O\n0.499428 0.625258 0.998894 O\n0.500378 0.500341 0.749429 O\n0.503459 0.875895 0.999363 O\n0.504375 0.814538 0.376622 O\n0.496147 0.059531 0.875943 O\n0.501505 0.499353 0.250989 O\n0.499664 0.248634 0.750739 O\n0.499906 0.689573 0.124137 O\n0.500957 0.625653 0.498772 O\n0.498304 0.874844 0.501028 O\n0.497039 0.006909 0.251491 O\n0.502977 0.816319 0.867199 O\n0.496050 0.437167 0.622828 O\n0.500671 0.939052 0.124587 O\n0.499562 0.564157 0.875921 O\n0.500792 0.758306 0.748632 O\n0.498085 0.935387 0.632321 O\n0.499125 0.437876 0.124221 O\n0.502126 0.188013 0.623892 O\n0.502778 0.688711 0.624156 O\n0.765661 0.000884 0.999241 O\n0.765968 0.500033 0.000443 O\n0.766958 0.253537 0.499797 O\n0.766827 0.747065 0.500757 O\n0.734603 0.122445 0.250753 O\n0.752036 0.376551 0.746305 O\n0.753485 0.625638 0.251637 O\n0.734156 0.875973 0.748640 O\n0.751121 0.371984 0.250979 O\n0.750305 0.121633 0.751279 O\n0.752220 0.876606 0.248792 O\n0.752056 0.627196 0.750983 O\n0.751409 0.250167 0.001925 O\n0.750800 0.748754 0.999449 O\n0.768914 0.499636 0.499779 O\n0.749125 0.998225 0.500394 O\n0.000751 0.189038 0.125047 O\n0.998509 0.062439 0.375532 O\n0.998516 0.134376 0.498316 O\n0.996089 0.249565 0.251240 O\n0.001794 0.440061 0.117510 O\n0.002897 0.312041 0.383771 O\n0.996650 0.498195 0.252348 O\n0.002006 0.375579 0.500337 O\n0.001386 0.616825 0.000433 O\n-0.000023 0.686381 0.123563 O\n0.001047 0.558127 0.384514 O\n0.999354 0.623678 0.501074 O\n0.004714 0.749792 0.252122 O\n0.996994 0.999349 0.749661 O\n0.998350 0.192188 0.616534 O\n0.000641 0.249928 0.747491 O\n0.000278 0.441444 0.615425 O\n0.996148 0.309969 0.876245 O\n0.997534 0.501402 0.747807 O\n0.001429 0.688921 0.616889 O\n0.002413 0.558537 0.882819 O\n0.001135 0.000085 0.250819 O\n0.003008 0.751125 0.747874 O\n0.000243 0.866251 0.500991 O\n0.996453 0.810453 0.875321 O\n0.999900 0.938552 0.624678 O\n","nsites":160,"nelements":4,"elements":["Ba","Sb","Pb","O"],"chemical_system":"Ba-O-Pb-Sb","density":7.623771853348644,"density_atomic":0.061405971453273554,"volume":2605.6097837610287,"volume_molar":9.807093052151298,"formula_full":"Ba32 Sb7 Pb25 O96","formula_reduced":"Ba32Sb7Pb25O96","formula_anonymous":"A7B25C32D96","energy":-1014.0917018,"energy_per_atom":-6.33807313625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-948.1397018,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.7e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:52.322000Z","spacegroup":65},{"id":"mp-680413","created_at":"2022-09-04T14:42:29.453337Z","structure_string":"Rb48 As112\n1.0\n13.537755 0.000000 0.000000\n0.000000 16.284250 0.000000\n0.000000 0.000000 26.594336\nRb As\n48 112\ndirect\n0.872042 0.752857 0.082897 Rb\n0.623232 0.393971 0.629462 Rb\n0.770393 0.164292 0.718549 Rb\n0.383258 0.587457 0.575628 Rb\n0.623232 0.893971 0.870538 Rb\n0.123232 0.106029 0.629462 Rb\n0.876768 0.393971 0.129462 Rb\n0.627958 0.252857 0.917103 Rb\n0.049893 0.644699 0.441320 Rb\n0.372042 0.747143 0.082897 Rb\n0.950107 0.855301 0.941320 Rb\n0.123232 0.606029 0.870538 Rb\n0.616742 0.412543 0.424372 Rb\n0.965073 0.456642 0.324158 Rb\n0.229607 0.835708 0.281451 Rb\n0.965073 0.956642 0.175842 Rb\n0.229607 0.335708 0.218549 Rb\n0.376768 0.106029 0.129462 Rb\n0.376768 0.606029 0.370538 Rb\n0.383258 0.087457 0.924372 Rb\n0.372042 0.247143 0.417103 Rb\n0.549893 0.855301 0.441320 Rb\n0.883258 0.412543 0.924372 Rb\n0.770393 0.664292 0.781451 Rb\n0.883258 0.912543 0.575628 Rb\n0.616742 0.912543 0.075628 Rb\n0.270393 0.835708 0.781451 Rb\n0.450107 0.144699 0.558680 Rb\n0.034927 0.043358 0.824158 Rb\n0.627958 0.752857 0.582897 Rb\n0.872042 0.252857 0.417103 Rb\n0.729607 0.164292 0.218549 Rb\n0.534927 0.456642 0.824158 Rb\n0.534927 0.956642 0.675842 Rb\n0.270393 0.335708 0.718549 Rb\n0.127958 0.247143 0.917103 Rb\n0.950107 0.355301 0.558680 Rb\n0.034927 0.543358 0.675842 Rb\n0.450107 0.644699 0.941320 Rb\n0.127958 0.747143 0.582897 Rb\n0.465073 0.043358 0.324158 Rb\n0.049893 0.144699 0.058680 Rb\n0.876768 0.893971 0.370538 Rb\n0.549893 0.355301 0.058680 Rb\n0.116742 0.087457 0.424372 Rb\n0.729607 0.664292 0.281451 Rb\n0.116742 0.587457 0.075628 Rb\n0.465073 0.543358 0.175842 Rb\n0.785520 0.225358 0.042656 As\n0.050804 0.882588 0.700087 As\n0.127858 0.364400 0.044931 As\n0.282865 0.907501 0.406091 As\n0.627858 0.135600 0.044931 As\n0.872142 0.135600 0.544931 As\n0.630586 0.369739 0.185596 As\n0.782865 0.092499 0.093909 As\n0.214480 0.274642 0.542656 As\n0.704892 0.935011 0.240312 As\n0.363197 0.506409 0.042383 As\n0.217135 0.407501 0.593909 As\n0.865530 0.692141 0.534781 As\n0.137876 0.445386 0.970134 As\n0.228188 0.684351 0.186249 As\n0.295108 0.064989 0.759688 As\n0.934737 0.259628 0.812781 As\n0.999618 0.293600 0.724343 As\n0.565263 0.759628 0.187219 As\n0.816823 0.547252 0.541447 As\n0.728188 0.315649 0.313751 As\n0.634470 0.192141 0.465219 As\n0.499618 0.206400 0.724343 As\n0.130586 0.130261 0.185596 As\n0.449196 0.382588 0.299913 As\n0.714480 0.225358 0.542656 As\n0.183177 0.952748 0.041447 As\n0.204892 0.564989 0.240312 As\n0.999618 0.793600 0.775657 As\n0.795108 0.935011 0.740312 As\n0.127858 0.864400 0.455069 As\n0.782865 0.592499 0.406091 As\n0.714480 0.725358 0.957344 As\n0.636803 0.493591 0.957617 As\n0.949196 0.117412 0.299913 As\n0.863197 0.493591 0.457617 As\n0.499618 0.706400 0.775657 As\n0.934737 0.759628 0.687219 As\n0.434737 0.240372 0.812781 As\n0.869414 0.369739 0.685596 As\n0.271812 0.184351 0.813751 As\n0.862124 0.554614 0.029866 As\n0.065263 0.740372 0.187219 As\n0.000382 0.206400 0.224343 As\n0.863197 0.993591 0.042383 As\n0.683177 0.547252 0.041447 As\n0.500382 0.293600 0.224343 As\n0.217135 0.907501 0.906091 As\n0.228188 0.184351 0.313751 As\n0.785520 0.725358 0.457344 As\n0.565263 0.259628 0.312781 As\n0.634470 0.692141 0.034781 As\n0.369414 0.130261 0.685596 As\n0.057548 0.002451 0.298024 As\n0.363197 0.006409 0.457617 As\n0.050804 0.382588 0.799913 As\n0.683177 0.047252 0.458553 As\n0.057548 0.502451 0.201976 As\n0.771812 0.815649 0.686249 As\n0.442452 0.502451 0.701976 As\n0.183177 0.452748 0.458553 As\n0.214480 0.774642 0.957344 As\n0.372142 0.364400 0.544931 As\n0.000382 0.706400 0.275657 As\n0.362124 0.445386 0.470134 As\n0.550804 0.117412 0.799913 As\n0.717135 0.092499 0.593909 As\n0.271812 0.684351 0.686249 As\n0.637876 0.054614 0.970134 As\n0.630586 0.869739 0.314404 As\n0.942452 0.997549 0.701976 As\n0.285520 0.774642 0.457344 As\n0.365530 0.307859 0.965219 As\n0.136803 0.006409 0.957617 As\n0.065263 0.240372 0.312781 As\n0.365530 0.807859 0.534781 As\n0.295108 0.564989 0.740312 As\n0.704892 0.435011 0.259688 As\n0.862124 0.054614 0.470134 As\n0.204892 0.064989 0.259688 As\n0.134470 0.307859 0.465219 As\n0.637876 0.554614 0.529866 As\n0.136803 0.506409 0.542383 As\n0.500382 0.793600 0.275657 As\n0.557548 0.997549 0.201976 As\n0.865530 0.192141 0.965219 As\n0.869414 0.869739 0.814404 As\n0.717135 0.592499 0.906091 As\n0.442452 0.002451 0.798024 As\n0.636803 0.993591 0.542383 As\n0.949196 0.617412 0.200087 As\n0.627858 0.635600 0.455069 As\n0.550804 0.617412 0.700087 As\n0.771812 0.315649 0.813751 As\n0.316823 0.452748 0.958553 As\n0.137876 0.945386 0.529866 As\n0.449196 0.882588 0.200087 As\n0.795108 0.435011 0.759688 As\n0.942452 0.497549 0.798024 As\n0.134470 0.807859 0.034781 As\n0.130586 0.630261 0.314404 As\n0.316823 0.952748 0.541447 As\n0.372142 0.864400 0.955069 As\n0.728188 0.815649 0.186249 As\n0.434737 0.740372 0.687219 As\n0.282865 0.407501 0.093909 As\n0.816823 0.047252 0.958553 As\n0.557548 0.497549 0.298024 As\n0.872142 0.635600 0.955069 As\n0.362124 0.945386 0.029866 As\n0.285520 0.274642 0.042656 As\n0.369414 0.630261 0.814404 As\n","nsites":160,"nelements":2,"elements":["Rb","As"],"chemical_system":"As-Rb","density":3.538634361845165,"density_atomic":0.027290809623928314,"volume":5862.779529256382,"volume_molar":22.066552231267796,"formula_full":"Rb48 As112","formula_reduced":"Rb3As7","formula_anonymous":"A3B7","energy":-627.19899205,"energy_per_atom":-3.9199937003125003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-627.19899205,"band_gap":1.4234,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0006967,"is_theoretical":false,"updated_at":"2021-11-28T01:35:51.863000Z","spacegroup":61},{"id":"mp-849797","created_at":"2022-09-04T14:42:47.693388Z","structure_string":"B48 H80 C16 S8 Br8\n1.0\n9.748286 0.000000 0.000000\n0.000000 9.891919 0.000000\n0.000000 0.000000 19.355303\nB H C S Br\n48 80 16 8 8\ndirect\n0.012364 0.388529 0.360231 B\n0.016572 0.572454 0.477346 B\n0.020128 0.900473 0.049156 B\n0.057559 0.038830 0.104087 B\n0.068771 0.551514 0.330606 B\n0.072120 0.664324 0.403209 B\n0.135479 0.326800 0.420239 B\n0.136982 0.441120 0.490872 B\n0.189481 0.420201 0.346960 B\n0.194848 0.601898 0.463398 B\n0.225842 0.589319 0.373398 B\n0.231614 0.549354 0.928258 B\n0.268386 0.450646 0.428258 B\n0.274158 0.410681 0.873398 B\n0.305152 0.398102 0.963398 B\n0.310519 0.579799 0.846960 B\n0.363018 0.558880 0.990872 B\n0.364521 0.673200 0.920239 B\n0.427880 0.335676 0.903209 B\n0.431229 0.448486 0.830606 B\n0.442441 0.961170 0.604087 B\n0.479872 0.099527 0.549156 B\n0.483428 0.427546 0.977346 B\n0.487636 0.611471 0.860231 B\n0.512364 0.111471 0.639769 B\n0.516572 0.927546 0.522654 B\n0.520128 0.599527 0.950844 B\n0.557559 0.461170 0.895913 B\n0.568771 0.948486 0.669394 B\n0.572120 0.835676 0.596791 B\n0.635479 0.173200 0.579761 B\n0.636982 0.058880 0.509128 B\n0.689481 0.079799 0.653040 B\n0.694848 0.898102 0.536602 B\n0.725842 0.910681 0.626602 B\n0.731614 0.950646 0.071742 B\n0.768386 0.049354 0.571742 B\n0.774158 0.089319 0.126602 B\n0.805152 0.101898 0.036602 B\n0.810519 0.920201 0.153040 B\n0.863018 0.941120 0.009128 B\n0.864521 0.826800 0.079761 B\n0.927880 0.164324 0.096791 B\n0.931229 0.051514 0.169394 B\n0.942441 0.538830 0.395913 B\n0.979872 0.400473 0.450844 B\n0.983428 0.072454 0.022654 B\n0.987636 0.888529 0.139769 B\n0.030930 0.540854 0.627994 H\n0.043843 0.127913 0.977021 H\n0.050129 0.813195 0.176345 H\n0.055775 0.880288 0.879782 H\n0.045632 0.591027 0.273425 H\n0.048911 0.782546 0.396970 H\n0.066156 0.405835 0.688560 H\n0.052190 0.938057 0.560588 H\n0.084836 0.990802 0.694128 H\n0.089732 0.574694 0.082788 H\n0.106240 0.833818 0.021127 H\n0.116000 0.583021 0.939253 H\n0.160173 0.208817 0.426831 H\n0.165976 0.567636 0.167121 H\n0.181867 0.061776 0.538624 H\n0.190726 0.892236 0.504354 H\n0.196808 0.432799 0.106314 H\n0.215880 0.114881 0.674714 H\n0.248412 0.983231 0.736840 H\n0.239881 0.324913 0.999903 H\n0.260119 0.675087 0.499903 H\n0.251588 0.016769 0.236840 H\n0.284120 0.885119 0.174714 H\n0.303192 0.567201 0.606314 H\n0.309274 0.107764 0.004354 H\n0.318133 0.938224 0.038624 H\n0.334024 0.432364 0.667121 H\n0.339827 0.791183 0.926831 H\n0.384000 0.416979 0.439253 H\n0.393760 0.166182 0.521127 H\n0.410268 0.425306 0.582788 H\n0.415164 0.009198 0.194128 H\n0.447810 0.061943 0.060588 H\n0.433844 0.594165 0.188560 H\n0.451089 0.217454 0.896970 H\n0.454368 0.408973 0.773425 H\n0.444225 0.119712 0.379782 H\n0.449871 0.186805 0.676345 H\n0.456157 0.872087 0.477021 H\n0.469070 0.459146 0.127994 H\n0.530930 0.959146 0.372006 H\n0.543843 0.372087 0.022979 H\n0.550129 0.686805 0.823655 H\n0.555775 0.619712 0.120218 H\n0.545632 0.908973 0.726575 H\n0.548911 0.717454 0.603030 H\n0.566156 0.094165 0.311440 H\n0.552190 0.561943 0.439412 H\n0.584836 0.509198 0.305872 H\n0.589732 0.925306 0.917212 H\n0.606240 0.666182 0.978873 H\n0.616000 0.916979 0.060747 H\n0.660173 0.291183 0.573169 H\n0.665976 0.932364 0.832879 H\n0.681867 0.438224 0.461376 H\n0.690726 0.607764 0.495646 H\n0.696808 0.067201 0.893686 H\n0.715880 0.385119 0.325286 H\n0.748412 0.516769 0.263160 H\n0.739881 0.175087 0.000097 H\n0.760119 0.824913 0.500097 H\n0.751588 0.483231 0.763160 H\n0.784120 0.614881 0.825286 H\n0.803192 0.932799 0.393686 H\n0.809274 0.392236 0.995646 H\n0.818133 0.561776 0.961376 H\n0.834024 0.067636 0.332879 H\n0.839827 0.708817 0.073169 H\n0.884000 0.083021 0.560747 H\n0.893760 0.333818 0.478873 H\n0.910268 0.074694 0.417212 H\n0.915164 0.490802 0.805872 H\n0.947810 0.438057 0.939412 H\n0.933844 0.905835 0.811440 H\n0.951089 0.282546 0.103030 H\n0.954368 0.091027 0.226575 H\n0.944225 0.380288 0.620218 H\n0.949871 0.313195 0.323655 H\n0.956157 0.627913 0.522979 H\n0.969070 0.040854 0.872006 H\n0.039599 0.431534 0.634936 C\n0.160832 0.955083 0.548566 C\n0.179360 0.541220 0.112407 C\n0.195335 0.009948 0.688749 C\n0.304665 0.990052 0.188749 C\n0.320640 0.458780 0.612407 C\n0.339168 0.044917 0.048566 C\n0.460401 0.568466 0.134936 C\n0.539599 0.068466 0.365064 C\n0.660832 0.544917 0.451434 C\n0.679360 0.958780 0.887593 C\n0.695335 0.490052 0.311251 C\n0.804665 0.509948 0.811251 C\n0.820640 0.041220 0.387593 C\n0.839168 0.455083 0.951434 C\n0.960401 0.931534 0.865064 C\n0.174169 0.366724 0.580316 S\n0.240538 0.101037 0.122055 S\n0.259462 0.898963 0.622055 S\n0.325831 0.633276 0.080316 S\n0.674169 0.133276 0.419684 S\n0.740538 0.398963 0.877945 S\n0.759462 0.601037 0.377945 S\n0.825831 0.866724 0.919684 S\n0.132599 0.296914 0.826502 Br\n0.204934 0.668689 0.771596 Br\n0.295066 0.331311 0.271596 Br\n0.367401 0.703086 0.326502 Br\n0.632599 0.203086 0.173498 Br\n0.704934 0.831311 0.228404 Br\n0.795066 0.168689 0.728404 Br\n0.867401 0.796914 0.673498 Br\n","nsites":160,"nelements":5,"elements":["B","H","C","S","Br"],"chemical_system":"B-Br-C-H-S","density":1.5013453068178624,"density_atomic":0.08572573048431836,"volume":1866.4174582830587,"volume_molar":7.0248929066887555,"formula_full":"B48 H80 C16 S8 Br8","formula_reduced":"B6H10C2SBr","formula_anonymous":"ABC2D6E10","energy":-832.58916323,"energy_per_atom":-5.2036822701875005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-824.2931632299999,"band_gap":4.5166,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004811,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.340000Z","spacegroup":19},{"id":"mp-1019609","created_at":"2022-09-04T14:40:43.853475Z","structure_string":"Cs8 Sr8 Li12 B12 P24 O96\n1.0\n12.878378 0.000000 0.000000\n0.000000 12.878378 0.000000\n0.000000 0.000000 12.878378\nCs Sr Li B P O\n8 8 12 12 24 96\ndirect\n0.648627 0.351373 0.851373 Cs\n0.148627 0.148627 0.148627 Cs\n0.851373 0.648627 0.351373 Cs\n0.351373 0.851373 0.648627 Cs\n0.653560 0.846440 0.153560 Cs\n0.846440 0.153560 0.653560 Cs\n0.346440 0.346440 0.346440 Cs\n0.153560 0.653560 0.846440 Cs\n0.593976 0.593976 0.593976 Sr\n0.406024 0.093976 0.906024 Sr\n0.093976 0.906024 0.406024 Sr\n0.906024 0.406024 0.093976 Sr\n0.429818 0.570182 0.070182 Sr\n0.929818 0.929818 0.929818 Sr\n0.070182 0.429818 0.570182 Sr\n0.570182 0.070182 0.429818 Sr\n0.695400 0.561198 0.097678 Li\n0.902322 0.195400 0.938802 Li\n0.061198 0.402322 0.304600 Li\n0.195400 0.938802 0.902322 Li\n0.402322 0.304600 0.061198 Li\n0.561198 0.097678 0.695400 Li\n0.304600 0.061198 0.402322 Li\n0.097678 0.695400 0.561198 Li\n0.938802 0.902322 0.195400 Li\n0.804600 0.438802 0.597678 Li\n0.597678 0.804600 0.438802 Li\n0.438802 0.597678 0.804600 Li\n0.646111 0.133060 0.121111 B\n0.878889 0.146111 0.366940 B\n0.633060 0.378889 0.353889 B\n0.146111 0.366940 0.878889 B\n0.378889 0.353889 0.633060 B\n0.133060 0.121111 0.646111 B\n0.353889 0.633060 0.378889 B\n0.121111 0.646111 0.133060 B\n0.366940 0.878889 0.146111 B\n0.853889 0.866940 0.621111 B\n0.621111 0.853889 0.866940 B\n0.866940 0.621111 0.853889 B\n0.945382 0.416488 0.817597 P\n0.182403 0.445382 0.083512 P\n0.916488 0.682403 0.054618 P\n0.445382 0.083512 0.182403 P\n0.682403 0.054618 0.916488 P\n0.416488 0.817597 0.945382 P\n0.054618 0.916488 0.682403 P\n0.817597 0.945382 0.416488 P\n0.083512 0.182403 0.445382 P\n0.554618 0.583512 0.317597 P\n0.317597 0.554618 0.583512 P\n0.583512 0.317597 0.554618 P\n0.619262 0.347290 0.138066 P\n0.861934 0.119262 0.152710 P\n0.847290 0.361934 0.380738 P\n0.119262 0.152710 0.861934 P\n0.361934 0.380738 0.847290 P\n0.347290 0.138066 0.619262 P\n0.380738 0.847290 0.361934 P\n0.138066 0.619262 0.347290 P\n0.152710 0.861934 0.119262 P\n0.880738 0.652710 0.638066 P\n0.638066 0.880738 0.652710 P\n0.652710 0.638066 0.880738 P\n0.602429 0.598526 0.210875 O\n0.789125 0.102429 0.901474 O\n0.098526 0.289125 0.397571 O\n0.102429 0.901474 0.789125 O\n0.289125 0.397571 0.098526 O\n0.598526 0.210875 0.602429 O\n0.397571 0.098526 0.289125 O\n0.210875 0.602429 0.598526 O\n0.901474 0.789125 0.102429 O\n0.897571 0.401474 0.710875 O\n0.710875 0.897571 0.401474 O\n0.401474 0.710875 0.897571 O\n0.066841 0.401176 0.801002 O\n0.198998 0.566841 0.098824 O\n0.901176 0.698998 0.933159 O\n0.566841 0.098824 0.198998 O\n0.698998 0.933159 0.901176 O\n0.401176 0.801002 0.066841 O\n0.933159 0.901176 0.698998 O\n0.801002 0.066841 0.401176 O\n0.098824 0.198998 0.566841 O\n0.433159 0.598824 0.301002 O\n0.301002 0.433159 0.598824 O\n0.598824 0.301002 0.433159 O\n0.711938 0.411641 0.101965 O\n0.898035 0.211938 0.088359 O\n0.911641 0.398035 0.288062 O\n0.211938 0.088359 0.898035 O\n0.398035 0.288062 0.911641 O\n0.411641 0.101965 0.711938 O\n0.288062 0.911641 0.398035 O\n0.101965 0.711938 0.411641 O\n0.088359 0.898035 0.211938 O\n0.788062 0.588359 0.601965 O\n0.601965 0.788062 0.588359 O\n0.588359 0.601965 0.788062 O\n0.939326 0.531999 0.859257 O\n0.140743 0.439326 0.968001 O\n0.031999 0.640743 0.060674 O\n0.439326 0.968001 0.140743 O\n0.640743 0.060674 0.031999 O\n0.531999 0.859257 0.939326 O\n0.060674 0.031999 0.640743 O\n0.859257 0.939326 0.531999 O\n0.968001 0.140743 0.439326 O\n0.560674 0.468001 0.359257 O\n0.359257 0.560674 0.468001 O\n0.468001 0.359257 0.560674 O\n0.902395 0.344837 0.901839 O\n0.098161 0.402395 0.155163 O\n0.844837 0.598161 0.097605 O\n0.402395 0.155163 0.098161 O\n0.598161 0.097605 0.844837 O\n0.344837 0.901839 0.902395 O\n0.097605 0.844837 0.598161 O\n0.901839 0.902395 0.344837 O\n0.155163 0.098161 0.402395 O\n0.597605 0.655163 0.401839 O\n0.401839 0.597605 0.655163 O\n0.655163 0.401839 0.597605 O\n0.625564 0.238156 0.082065 O\n0.917935 0.125564 0.261844 O\n0.738156 0.417935 0.374436 O\n0.125564 0.261844 0.917935 O\n0.417935 0.374436 0.738156 O\n0.238156 0.082065 0.625564 O\n0.374436 0.738156 0.417935 O\n0.082065 0.625564 0.238156 O\n0.261844 0.917935 0.125564 O\n0.874436 0.761844 0.582065 O\n0.582065 0.874436 0.761844 O\n0.761844 0.582065 0.874436 O\n0.624298 0.321273 0.256597 O\n0.743403 0.124298 0.178727 O\n0.821273 0.243403 0.375702 O\n0.124298 0.178727 0.743403 O\n0.243403 0.375702 0.821273 O\n0.321273 0.256597 0.624298 O\n0.375702 0.821273 0.243403 O\n0.256597 0.624298 0.321273 O\n0.178727 0.743403 0.124298 O\n0.875702 0.678727 0.756597 O\n0.756597 0.875702 0.678727 O\n0.678727 0.756597 0.875702 O\n0.514506 0.395488 0.109779 O\n0.890221 0.014506 0.104512 O\n0.895488 0.390221 0.485494 O\n0.014506 0.104512 0.890221 O\n0.390221 0.485494 0.895488 O\n0.395488 0.109779 0.514506 O\n0.485494 0.895488 0.390221 O\n0.109779 0.514506 0.395488 O\n0.104512 0.890221 0.014506 O\n0.985494 0.604512 0.609779 O\n0.609779 0.985494 0.604512 O\n0.604512 0.609779 0.985494 O\n","nsites":160,"nelements":6,"elements":["Cs","Sr","Li","B","P","O"],"chemical_system":"B-Cs-Li-O-P-Sr","density":3.3091948738225425,"density_atomic":0.07490942754362175,"volume":2135.9127315026903,"volume_molar":8.039229450115807,"formula_full":"Cs8 Sr8 Li12 B12 P24 O96","formula_reduced":"Cs2Sr2Li3B3(PO4)6","formula_anonymous":"A2B2C3D3E6F24","energy":-1193.94822877,"energy_per_atom":-7.4621764298125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1127.99622877,"band_gap":5.9419,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":6.5e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.702000Z","spacegroup":198},{"id":"mp-683925","created_at":"2022-09-04T14:41:59.674299Z","structure_string":"Cs8 Sb24 F128\n1.0\n7.893920 0.000000 0.000000\n0.000000 16.332963 0.000000\n0.000000 0.000000 22.468468\nCs Sb F\n8 24 128\ndirect\n0.963652 0.410787 0.503556 Cs\n0.446839 0.144720 0.755807 Cs\n0.553161 0.644720 0.244193 Cs\n0.036348 0.910787 0.496444 Cs\n0.553161 0.144720 0.255807 Cs\n0.446839 0.644720 0.744193 Cs\n0.963652 0.910787 0.996444 Cs\n0.036348 0.410787 0.003556 Cs\n0.451570 0.861831 0.869183 Sb\n0.548430 0.861831 0.369183 Sb\n0.953213 0.684734 0.618081 Sb\n0.046787 0.684734 0.118081 Sb\n0.046787 0.184734 0.381919 Sb\n0.033726 0.638900 0.387919 Sb\n0.621451 0.137921 0.478788 Sb\n0.510041 0.420779 0.858272 Sb\n0.135090 0.920038 0.272206 Sb\n0.033726 0.138900 0.112081 Sb\n0.621451 0.637921 0.021212 Sb\n0.135090 0.420038 0.227794 Sb\n0.378549 0.637921 0.521212 Sb\n0.489959 0.920779 0.141728 Sb\n0.864910 0.420038 0.727794 Sb\n0.548430 0.361831 0.130817 Sb\n0.966274 0.638900 0.887919 Sb\n0.489959 0.420779 0.358272 Sb\n0.378549 0.137921 0.978788 Sb\n0.966274 0.138900 0.612081 Sb\n0.451570 0.361831 0.630817 Sb\n0.510041 0.920779 0.641728 Sb\n0.864910 0.920038 0.772206 Sb\n0.953213 0.184734 0.881919 Sb\n0.318596 0.321772 0.695189 F\n0.746864 0.520162 0.717934 F\n0.849215 0.674693 0.054008 F\n0.223675 0.696011 0.174299 F\n0.424369 0.604525 0.981353 F\n0.951985 0.468789 0.267722 F\n0.894400 0.631816 0.171672 F\n0.934609 0.523269 0.884847 F\n0.957875 0.423039 0.650305 F\n0.836561 0.236787 0.945335 F\n0.575631 0.104525 0.018647 F\n0.350579 0.367252 0.195224 F\n0.745882 0.139654 0.557422 F\n0.116214 0.080412 0.410332 F\n0.066584 0.311522 0.241686 F\n0.081572 0.120940 0.539181 F\n0.341648 0.395015 0.421868 F\n0.532407 0.253118 0.621281 F\n0.563606 0.033626 0.633855 F\n0.424369 0.104525 0.518647 F\n0.689108 0.927981 0.094719 F\n0.718714 0.854084 0.428185 F\n0.658352 0.895015 0.578132 F\n0.933416 0.311522 0.741686 F\n0.379659 0.901696 0.422509 F\n0.532749 0.137675 0.400580 F\n0.599049 0.970727 0.345947 F\n0.048015 0.968789 0.732278 F\n0.776325 0.696011 0.674299 F\n0.467593 0.253118 0.121281 F\n0.813891 0.652555 0.823552 F\n0.681404 0.821772 0.304811 F\n0.400951 0.970727 0.845947 F\n0.350579 0.867252 0.304776 F\n0.649421 0.867252 0.804776 F\n0.936143 0.785904 0.134234 F\n0.163271 0.642404 0.839628 F\n0.037176 0.253360 0.096836 F\n0.400951 0.470727 0.654053 F\n0.658352 0.395015 0.921868 F\n0.310892 0.427981 0.905281 F\n0.262732 0.909823 0.193943 F\n0.918428 0.120940 0.039181 F\n0.594120 0.948994 0.215088 F\n0.737268 0.909823 0.693943 F\n0.042125 0.423039 0.150305 F\n0.063857 0.285904 0.865766 F\n0.186109 0.652555 0.323552 F\n0.532407 0.753118 0.878719 F\n0.515797 0.307972 0.339351 F\n0.254118 0.639654 0.442578 F\n0.467251 0.137675 0.900580 F\n0.894400 0.131816 0.328328 F\n0.105600 0.131816 0.828328 F\n0.042125 0.923039 0.349695 F\n0.281286 0.854084 0.928185 F\n0.934609 0.023269 0.615153 F\n0.883786 0.080412 0.910332 F\n0.405880 0.948994 0.715088 F\n0.063857 0.785904 0.634234 F\n0.281286 0.354084 0.571815 F\n0.957875 0.923039 0.849695 F\n0.484203 0.807972 0.660649 F\n0.594120 0.448994 0.284912 F\n0.962824 0.253360 0.596836 F\n0.150785 0.674693 0.554008 F\n0.933416 0.811522 0.758314 F\n0.745882 0.639654 0.942578 F\n0.689108 0.427981 0.405281 F\n0.711961 0.030722 0.471886 F\n0.065391 0.523269 0.384847 F\n0.918428 0.620940 0.460819 F\n0.467593 0.753118 0.378719 F\n0.436394 0.033626 0.133855 F\n0.718714 0.354084 0.071815 F\n0.048015 0.468789 0.767722 F\n0.253136 0.520162 0.217934 F\n0.575631 0.604525 0.481353 F\n0.116214 0.580412 0.089668 F\n0.288039 0.530722 0.528114 F\n0.065391 0.023269 0.115153 F\n0.776325 0.196011 0.825701 F\n0.253136 0.020162 0.282066 F\n0.037176 0.753360 0.403164 F\n0.836729 0.642404 0.339628 F\n0.379659 0.401696 0.077491 F\n0.620341 0.901696 0.922509 F\n0.484203 0.307972 0.839351 F\n0.746864 0.020162 0.782066 F\n0.563606 0.533626 0.866145 F\n0.310892 0.927981 0.594719 F\n0.936143 0.285904 0.365766 F\n0.105600 0.631816 0.671672 F\n0.223675 0.196011 0.325701 F\n0.467251 0.637675 0.599420 F\n0.962824 0.753360 0.903164 F\n0.649421 0.367252 0.695224 F\n0.813891 0.152555 0.676448 F\n0.262732 0.409823 0.306057 F\n0.515797 0.807972 0.160649 F\n0.599049 0.470727 0.154053 F\n0.849215 0.174693 0.445992 F\n0.081572 0.620940 0.960819 F\n0.163271 0.142404 0.660372 F\n0.341648 0.895015 0.078132 F\n0.737268 0.409823 0.806057 F\n0.951985 0.968789 0.232278 F\n0.150785 0.174693 0.945992 F\n0.066584 0.811522 0.258314 F\n0.163439 0.236787 0.445335 F\n0.620341 0.401696 0.577491 F\n0.836561 0.736787 0.554665 F\n0.318596 0.821772 0.804811 F\n0.412729 0.751214 0.509703 F\n0.405880 0.448994 0.784912 F\n0.288039 0.030722 0.971886 F\n0.532749 0.637675 0.099420 F\n0.412729 0.251214 0.990297 F\n0.587271 0.251214 0.490297 F\n0.436394 0.533626 0.366145 F\n0.163439 0.736787 0.054665 F\n0.836729 0.142404 0.160372 F\n0.681404 0.321772 0.195189 F\n0.254118 0.139654 0.057422 F\n0.711961 0.530722 0.028114 F\n0.186109 0.152555 0.176448 F\n0.883786 0.580412 0.589668 F\n0.587271 0.751214 0.009703 F\n","nsites":160,"nelements":3,"elements":["Cs","Sb","F"],"chemical_system":"Cs-F-Sb","density":3.6784840190508916,"density_atomic":0.05523175234309556,"volume":2896.8843683628183,"volume_molar":10.903403394827864,"formula_full":"Cs8 Sb24 F128","formula_reduced":"CsSb3F16","formula_anonymous":"AB3C16","energy":-787.31176779,"energy_per_atom":-4.9206985486875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-728.17576779,"band_gap":3.7601,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0028239,"is_theoretical":false,"updated_at":"2021-11-28T01:35:40.985000Z","spacegroup":29},{"id":"mp-641710","created_at":"2022-09-04T14:42:59.499967Z","structure_string":"Cu40 Si8 Sb16 O96\n1.0\n9.550813 -0.000268 -0.000002\n-0.000265 9.715834 -0.000001\n-0.000003 -0.000003 19.241023\nCu Si Sb O\n40 8 16 96\ndirect\n0.743843 0.502364 0.377199 Cu\n0.979032 0.727733 0.375866 Cu\n0.500011 0.459874 0.749999 Cu\n0.499989 0.040126 0.249999 Cu\n0.020975 0.727768 0.124144 Cu\n0.979025 0.272232 0.875856 Cu\n0.245859 0.754828 0.250118 Cu\n0.743855 0.497623 0.877204 Cu\n0.256144 0.002377 0.377204 Cu\n0.220603 0.749981 0.499987 Cu\n0.743856 0.997623 0.622796 Cu\n0.245936 0.745207 0.749885 Cu\n0.256145 0.502377 0.122796 Cu\n0.020968 0.772267 0.875866 Cu\n0.723524 0.750003 0.499994 Cu\n0.754141 0.245172 0.749882 Cu\n0.276476 0.249997 0.500006 Cu\n0.245936 0.245207 0.750115 Cu\n0.256158 0.997635 0.877199 Cu\n0.754141 0.745173 0.750118 Cu\n0.979025 0.772231 0.624144 Cu\n0.743842 0.002365 0.122801 Cu\n0.754064 0.754793 0.249885 Cu\n0.723524 0.250003 0.000006 Cu\n0.779397 0.250019 0.500013 Cu\n0.245859 0.254827 0.249882 Cu\n0.276476 0.749997 -0.000006 Cu\n0.779397 0.750019 0.999987 Cu\n0.754064 0.254793 0.250115 Cu\n0.500000 0.500000 -0.000000 Cu\n0.220603 0.249981 0.000013 Cu\n0.499989 0.540126 0.250001 Cu\n0.500000 -0.000000 -0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.256157 0.497636 0.622801 Cu\n0.020975 0.227769 0.375856 Cu\n0.020968 0.272267 0.624134 Cu\n0.500000 -0.000000 0.500000 Cu\n0.500011 0.959874 0.750001 Cu\n0.979032 0.227733 0.124134 Cu\n0.253179 0.992708 0.626974 Si\n0.746821 0.007292 0.373026 Si\n0.253179 0.492708 0.873026 Si\n0.253161 0.507239 0.373007 Si\n0.746839 0.992761 0.873007 Si\n0.746839 0.492761 0.626993 Si\n0.746821 0.507292 0.126974 Si\n0.253161 0.007239 0.126993 Si\n0.000020 0.036432 0.749985 Sb\n0.515284 0.227556 0.624660 Sb\n0.515236 0.772427 0.124677 Sb\n0.484716 0.272444 0.124660 Sb\n0.484764 0.227573 0.875323 Sb\n0.000000 0.500000 -0.000000 Sb\n0.484764 0.727573 0.624677 Sb\n0.515236 0.272427 0.375323 Sb\n0.000000 -0.000000 -0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.484716 0.772444 0.375340 Sb\n0.999980 0.963568 0.250015 Sb\n0.515284 0.727556 0.875340 Sb\n0.000000 -0.000000 0.500000 Sb\n0.999980 0.463568 0.249985 Sb\n0.000020 0.536432 0.750015 Sb\n0.855441 0.438225 0.568672 O\n0.144554 0.938229 0.568659 O\n0.602032 0.314789 0.802534 O\n0.069190 0.156556 0.944452 O\n0.641980 0.866889 0.053930 O\n0.641943 0.133147 0.553976 O\n0.141105 0.375598 0.553930 O\n0.641943 0.633147 0.946024 O\n0.855441 0.938225 0.931328 O\n0.906031 0.314866 0.306433 O\n0.601997 0.185279 0.197417 O\n0.889589 0.899626 0.691567 O\n0.110449 0.399716 0.691575 O\n0.169923 0.072265 0.688893 O\n0.930810 0.343444 0.444452 O\n0.830114 0.072332 0.811096 O\n0.607384 0.410150 0.310074 O\n0.830076 0.427735 0.188893 O\n0.641980 0.366889 0.446070 O\n0.426367 0.647468 0.054826 O\n0.392561 0.910146 0.310056 O\n0.069116 0.843429 0.444487 O\n0.930884 0.656571 0.944487 O\n0.666114 0.359269 0.658765 O\n0.362899 0.098531 0.591521 O\n0.362783 0.901339 0.091534 O\n0.169886 0.427668 0.311096 O\n0.358019 0.633111 0.553930 O\n0.889589 0.399626 0.808433 O\n0.573633 0.852533 0.554826 O\n0.601997 0.685279 0.302583 O\n0.392561 0.410146 0.189944 O\n0.637101 0.401469 0.091521 O\n0.573595 0.647437 0.445220 O\n0.602032 0.814789 0.697465 O\n0.169886 0.927668 0.188904 O\n0.362783 0.401339 0.408466 O\n0.889551 0.600284 0.308425 O\n0.930884 0.156571 0.555513 O\n0.358057 0.866853 0.446024 O\n0.830114 0.572332 0.688904 O\n0.855446 0.061771 0.431341 O\n0.141014 0.124418 0.446027 O\n0.573633 0.352532 0.945174 O\n0.144554 0.438229 0.931341 O\n0.110411 0.600374 0.191567 O\n0.093969 0.185134 0.806433 O\n0.607384 0.910150 0.189926 O\n0.169924 0.572265 0.811107 O\n0.110449 0.899716 0.808425 O\n0.141105 0.875598 0.946070 O\n0.392616 0.089850 0.810074 O\n0.398003 0.314721 0.697417 O\n0.855446 0.561771 0.068659 O\n0.069116 0.343429 0.055513 O\n0.397968 0.185211 0.302535 O\n0.930810 0.843444 0.055548 O\n0.093969 0.685134 0.693567 O\n0.830077 0.927735 0.311107 O\n0.637217 0.098661 0.908466 O\n0.398003 0.814721 0.802583 O\n0.141014 0.624418 0.053973 O\n0.362899 0.598531 0.908479 O\n0.666155 0.640812 0.158752 O\n0.666114 0.859269 0.841235 O\n0.905967 0.185107 0.693550 O\n0.392616 0.589850 0.689926 O\n0.094033 0.314893 0.193550 O\n0.858895 0.624402 0.446070 O\n0.637101 0.901469 0.408479 O\n0.069190 0.656556 0.555548 O\n0.333885 0.640731 0.341235 O\n0.905967 0.685107 0.806450 O\n0.858986 0.375582 0.946027 O\n0.858986 0.875582 0.553973 O\n0.858895 0.124402 0.053930 O\n0.094033 0.814893 0.306450 O\n0.426367 0.147467 0.445174 O\n0.637217 0.598661 0.591534 O\n0.144559 0.561775 0.431328 O\n0.397968 0.685211 0.197466 O\n0.666155 0.140812 0.341248 O\n0.889551 0.100284 0.191575 O\n0.607439 0.589854 0.810056 O\n0.333885 0.140731 0.158765 O\n0.607439 0.089854 0.689944 O\n0.333844 0.859188 0.658752 O\n0.144559 0.061775 0.068672 O\n0.358057 0.366853 0.053976 O\n0.906031 0.814866 0.193567 O\n0.358020 0.133111 0.946070 O\n0.426405 0.352563 0.554780 O\n0.573595 0.147437 0.054780 O\n0.333844 0.359188 0.841248 O\n0.110411 0.100374 0.308433 O\n0.426405 0.852563 0.945220 O\n","nsites":160,"nelements":4,"elements":["Cu","Si","Sb","O"],"chemical_system":"Cu-O-Sb-Si","density":5.813317633829719,"density_atomic":0.08961307835799864,"volume":1785.453674081031,"volume_molar":6.7201583411094585,"formula_full":"Cu40 Si8 Sb16 O96","formula_reduced":"Cu5Si(SbO6)2","formula_anonymous":"AB2C5D12","energy":-996.07889044,"energy_per_atom":-6.22549306525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-930.12689044,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.000001,"is_theoretical":false,"updated_at":"2021-11-28T01:36:02.741000Z","spacegroup":54},{"id":"mp-1204398","created_at":"2022-09-04T14:42:07.522873Z","structure_string":"Co4 Mo4 H96 N24 Cl4 O28\n1.0\n8.537980 0.000000 0.000000\n0.000000 8.846672 0.000000\n0.000000 0.000000 18.699070\nCo Mo H N Cl O\n4 4 96 24 4 28\ndirect\n0.178535 0.750000 0.332416 Co\n0.321465 0.750000 0.832416 Co\n0.821465 0.250000 0.667584 Co\n0.678535 0.250000 0.167584 Co\n0.392172 0.750000 0.098821 Mo\n0.107828 0.750000 0.598821 Mo\n0.607828 0.250000 0.901179 Mo\n0.892172 0.250000 0.401179 Mo\n0.138476 0.501444 0.396719 H\n0.361524 0.998556 0.896719 H\n0.861524 0.001444 0.603281 H\n0.638476 0.498556 0.103281 H\n0.861524 0.498556 0.603281 H\n0.638476 0.001444 0.103281 H\n0.138476 0.998556 0.396719 H\n0.361524 0.501444 0.896719 H\n0.189458 0.632017 0.455710 H\n0.310542 0.867983 0.955710 H\n0.810542 0.132017 0.544290 H\n0.689458 0.367983 0.044290 H\n0.810542 0.367983 0.544290 H\n0.689458 0.132017 0.044290 H\n0.189458 0.867983 0.455710 H\n0.310542 0.632017 0.955710 H\n0.326612 0.551593 0.406102 H\n0.173388 0.948407 0.906102 H\n0.673388 0.051593 0.593898 H\n0.826612 0.448407 0.093898 H\n0.673388 0.448407 0.593898 H\n0.826612 0.051593 0.093898 H\n0.326612 0.948407 0.406102 H\n0.173388 0.551593 0.906102 H\n0.424923 0.750000 0.252836 H\n0.075077 0.750000 0.752836 H\n0.575077 0.250000 0.747164 H\n0.924923 0.250000 0.247164 H\n0.462053 0.657495 0.328446 H\n0.037947 0.842505 0.828446 H\n0.537947 0.157495 0.671554 H\n0.962053 0.342505 0.171554 H\n0.537947 0.342505 0.671554 H\n0.962053 0.157495 0.171554 H\n0.462053 0.842505 0.328446 H\n0.037947 0.657495 0.828446 H\n0.885633 0.750000 0.310251 H\n0.614367 0.750000 0.810251 H\n0.114367 0.250000 0.689749 H\n0.385633 0.250000 0.189749 H\n0.918969 0.844657 0.384806 H\n0.581031 0.655343 0.884806 H\n0.081031 0.344657 0.615194 H\n0.418969 0.155343 0.115194 H\n0.081031 0.155343 0.615194 H\n0.418969 0.344657 0.115194 H\n0.918969 0.655343 0.384806 H\n0.581031 0.844657 0.884806 H\n0.043291 0.626780 0.228778 H\n0.456709 0.873220 0.728778 H\n0.956709 0.126780 0.771222 H\n0.543291 0.373220 0.271222 H\n0.956709 0.373220 0.771222 H\n0.543291 0.126780 0.271222 H\n0.043291 0.873220 0.228778 H\n0.456709 0.626780 0.728778 H\n0.108021 0.492815 0.283384 H\n0.391979 0.007185 0.783384 H\n0.891979 0.992815 0.716616 H\n0.608021 0.507185 0.216616 H\n0.891979 0.507185 0.716616 H\n0.608021 0.992815 0.216616 H\n0.108021 0.007185 0.283384 H\n0.391979 0.492815 0.783384 H\n0.231502 0.573936 0.225441 H\n0.268498 0.926064 0.725441 H\n0.768498 0.073936 0.774559 H\n0.731502 0.426064 0.274559 H\n0.768498 0.426064 0.774559 H\n0.731502 0.073936 0.274559 H\n0.231502 0.926064 0.225441 H\n0.268498 0.573936 0.725441 H\n0.711642 0.750000 0.012538 H\n0.788358 0.750000 0.512538 H\n0.288358 0.250000 0.987462 H\n0.211642 0.250000 0.487462 H\n0.869089 0.750000 0.055280 H\n0.630911 0.750000 0.555280 H\n0.130911 0.250000 0.944720 H\n0.369089 0.250000 0.444720 H\n0.589415 0.437618 0.418542 H\n0.910585 0.062382 0.918542 H\n0.410585 0.937618 0.581458 H\n0.089415 0.562382 0.081458 H\n0.410585 0.562382 0.581458 H\n0.089415 0.937618 0.081458 H\n0.589415 0.062382 0.418542 H\n0.910585 0.437618 0.918542 H\n0.589534 0.605667 0.447787 H\n0.910466 0.894333 0.947787 H\n0.410466 0.105667 0.552213 H\n0.089534 0.394333 0.052213 H\n0.410466 0.394333 0.552213 H\n0.089534 0.105667 0.052213 H\n0.589534 0.894333 0.447787 H\n0.910466 0.605667 0.947787 H\n0.212193 0.591257 0.405440 N\n0.287807 0.908743 0.905440 N\n0.787807 0.091257 0.594560 N\n0.712193 0.408743 0.094560 N\n0.787807 0.408743 0.594560 N\n0.712193 0.091257 0.094560 N\n0.212193 0.908743 0.405440 N\n0.287807 0.591257 0.905440 N\n0.405588 0.750000 0.307042 N\n0.094412 0.750000 0.807042 N\n0.594412 0.250000 0.692958 N\n0.905588 0.250000 0.192958 N\n0.950748 0.750000 0.356762 N\n0.549252 0.750000 0.856762 N\n0.049252 0.250000 0.643238 N\n0.450748 0.250000 0.143238 N\n0.138349 0.593029 0.259337 N\n0.361651 0.906971 0.759337 N\n0.861651 0.093029 0.740663 N\n0.638349 0.406971 0.240663 N\n0.861651 0.406971 0.740663 N\n0.638349 0.093029 0.240663 N\n0.138349 0.906971 0.259337 N\n0.361651 0.593029 0.759337 N\n0.831244 0.750000 0.186352 Cl\n0.668756 0.750000 0.686352 Cl\n0.168756 0.250000 0.813648 Cl\n0.331244 0.250000 0.313648 Cl\n0.417167 0.914860 0.153826 O\n0.082833 0.585140 0.653826 O\n0.582833 0.414860 0.846174 O\n0.917167 0.085140 0.346174 O\n0.582833 0.085140 0.846174 O\n0.917167 0.414860 0.346174 O\n0.417167 0.585140 0.153826 O\n0.082833 0.914860 0.653826 O\n0.526615 0.750000 0.024595 O\n0.973385 0.750000 0.524595 O\n0.473385 0.250000 0.975405 O\n0.026615 0.250000 0.475405 O\n0.197326 0.750000 0.061887 O\n0.302674 0.750000 0.561887 O\n0.802674 0.250000 0.938113 O\n0.697326 0.250000 0.438113 O\n0.829427 0.750000 0.006016 O\n0.670573 0.750000 0.506016 O\n0.170573 0.250000 0.993984 O\n0.329427 0.250000 0.493984 O\n0.543900 0.538629 0.410715 O\n0.956100 0.961371 0.910715 O\n0.456100 0.038629 0.589285 O\n0.043900 0.461371 0.089285 O\n0.456100 0.461371 0.589285 O\n0.043900 0.038629 0.089285 O\n0.543900 0.961371 0.410715 O\n0.956100 0.538629 0.910715 O\n","nsites":160,"nelements":6,"elements":["Co","Mo","H","N","Cl","O"],"chemical_system":"Cl-Co-H-Mo-N-O","density":1.9307364401898082,"density_atomic":0.1132830456081333,"volume":1412.3914054488714,"volume_molar":5.316012407392084,"formula_full":"Co4 Mo4 H96 N24 Cl4 O28","formula_reduced":"CoMoH24N6ClO7","formula_anonymous":"ABCD6E7F24","energy":-885.7648146400002,"energy_per_atom":-5.536030091500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-836.04881464,"band_gap":3.4214,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0823182,"is_theoretical":false,"updated_at":"2021-11-28T01:35:41.232000Z","spacegroup":62},{"id":"mp-651347","created_at":"2022-09-04T14:46:53.480219Z","structure_string":"K24 Mo24 Se112\n1.0\n15.152618 -0.019296 0.000000\n-4.337823 14.518454 0.000000\n0.000000 0.000000 20.849484\nK Mo Se\n24 24 112\ndirect\n0.807554 0.556069 0.619130 K\n0.337697 0.584887 0.329568 K\n0.944233 0.686747 0.122642 K\n0.518485 0.518485 0.094395 K\n0.192446 0.443931 0.119130 K\n0.971031 0.475434 0.339701 K\n0.820289 0.063459 0.360564 K\n0.475434 0.971031 0.339701 K\n0.662303 0.415113 0.829568 K\n0.313253 0.055767 0.622642 K\n0.524566 0.028969 0.839701 K\n0.936541 0.179711 0.860564 K\n0.481515 0.481515 0.594395 K\n0.055767 0.313253 0.622642 K\n0.966425 0.966425 0.634640 K\n0.028969 0.524566 0.839701 K\n0.686747 0.944233 0.122642 K\n0.415113 0.662303 0.829568 K\n0.179711 0.936541 0.860564 K\n0.556069 0.807554 0.619130 K\n0.584887 0.337697 0.329568 K\n0.063459 0.820289 0.360564 K\n0.443931 0.192446 0.119130 K\n0.033575 0.033575 0.134640 K\n0.290553 0.177995 0.391725 Mo\n0.762815 0.255755 0.186526 Mo\n0.751657 0.636826 0.394010 Mo\n0.744245 0.237185 0.686526 Mo\n0.177995 0.290553 0.391725 Mo\n0.237185 0.744245 0.686526 Mo\n0.750226 0.750226 0.289374 Mo\n0.140962 0.767798 0.577371 Mo\n0.351964 0.749142 0.074100 Mo\n0.254796 0.254796 0.277472 Mo\n0.709447 0.822005 0.891725 Mo\n0.859038 0.232202 0.077371 Mo\n0.232202 0.859038 0.077371 Mo\n0.248343 0.363174 0.894010 Mo\n0.250858 0.648036 0.574100 Mo\n0.749142 0.351964 0.074100 Mo\n0.249774 0.249774 0.789374 Mo\n0.745204 0.745204 0.777472 Mo\n0.363174 0.248343 0.894010 Mo\n0.822005 0.709447 0.891725 Mo\n0.767798 0.140962 0.577371 Mo\n0.636826 0.751657 0.394010 Mo\n0.648036 0.250858 0.574100 Mo\n0.255755 0.762815 0.186526 Mo\n0.423822 0.423822 0.905154 Se\n0.190059 0.190059 0.898785 Se\n0.652176 0.652176 0.867272 Se\n0.123675 0.123675 0.725254 Se\n0.347824 0.347824 0.367272 Se\n0.690137 0.172222 0.470294 Se\n0.293478 0.426015 0.779543 Se\n0.379321 0.162549 0.285500 Se\n0.179512 0.446197 0.444828 Se\n0.132992 0.912807 0.510126 Se\n0.812109 0.431757 0.181383 Se\n0.524028 0.748495 0.049569 Se\n0.989173 0.799315 0.530391 Se\n0.738044 0.229913 0.814898 Se\n0.479372 0.479372 0.769024 Se\n0.078763 0.212111 0.296626 Se\n0.034226 0.331710 0.448758 Se\n0.314561 0.821338 0.585530 Se\n0.965774 0.668290 0.948758 Se\n0.649577 0.359139 0.672898 Se\n0.763473 0.763473 0.649010 Se\n0.145600 0.868789 0.681832 Se\n0.005022 0.512690 0.674739 Se\n0.403495 0.922065 0.051349 Se\n0.525661 0.225471 0.934183 Se\n0.573985 0.706522 0.279543 Se\n0.640861 0.350423 0.172898 Se\n0.234671 0.234671 0.497918 Se\n0.799315 0.989173 0.530391 Se\n0.656160 0.872025 0.299754 Se\n0.765329 0.765329 0.997918 Se\n0.010827 0.200685 0.030391 Se\n0.309863 0.827778 0.970294 Se\n0.475972 0.251505 0.549569 Se\n0.359139 0.649577 0.672898 Se\n0.620679 0.837451 0.785500 Se\n0.596505 0.077935 0.551349 Se\n0.343350 0.343350 0.996584 Se\n0.706522 0.573985 0.279543 Se\n0.939163 0.295509 0.183139 Se\n0.261956 0.770087 0.314898 Se\n0.178662 0.685439 0.085530 Se\n0.770087 0.261956 0.314898 Se\n0.087193 0.867008 0.010126 Se\n0.787889 0.921237 0.796626 Se\n0.809941 0.809941 0.398785 Se\n0.343840 0.127975 0.799754 Se\n0.912807 0.132992 0.510126 Se\n0.854400 0.131211 0.181832 Se\n0.060837 0.704491 0.683139 Se\n0.765542 0.765542 0.163337 Se\n0.668290 0.965774 0.948758 Se\n0.970720 0.970720 0.822272 Se\n0.921237 0.787889 0.796626 Se\n0.295509 0.939163 0.183139 Se\n0.225471 0.525661 0.934183 Se\n0.187891 0.568243 0.681383 Se\n0.553803 0.820488 0.944828 Se\n0.127975 0.343840 0.799754 Se\n0.876325 0.876325 0.225254 Se\n0.389420 0.634959 0.497100 Se\n0.774529 0.474339 0.434183 Se\n0.212111 0.078763 0.296626 Se\n0.350423 0.640861 0.172898 Se\n0.884815 0.621274 0.469770 Se\n0.922065 0.403495 0.051349 Se\n0.378726 0.115185 0.969770 Se\n0.837451 0.620679 0.785500 Se\n0.867008 0.087193 0.010126 Se\n0.426015 0.293478 0.779543 Se\n0.576178 0.576178 0.405154 Se\n0.331710 0.034226 0.448758 Se\n0.647393 0.145205 0.266803 Se\n0.512690 0.005022 0.674739 Se\n0.359727 0.359727 0.190315 Se\n0.229913 0.738044 0.814898 Se\n0.704491 0.060837 0.683139 Se\n0.200685 0.010827 0.030391 Se\n0.685439 0.178662 0.085530 Se\n0.854795 0.352607 0.766803 Se\n0.446197 0.179512 0.444828 Se\n0.821338 0.314561 0.585530 Se\n0.868789 0.145600 0.681832 Se\n0.634959 0.389420 0.497100 Se\n0.352607 0.854795 0.766803 Se\n0.234458 0.234458 0.663337 Se\n0.621274 0.884815 0.469770 Se\n0.656650 0.656650 0.496584 Se\n0.640273 0.640273 0.690315 Se\n0.236527 0.236527 0.149010 Se\n0.251505 0.475972 0.549569 Se\n0.474339 0.774529 0.434183 Se\n0.029280 0.029280 0.322272 Se\n0.487310 0.994978 0.174739 Se\n0.610580 0.365041 0.997100 Se\n0.431757 0.812109 0.181383 Se\n0.748495 0.524028 0.049569 Se\n0.520628 0.520628 0.269024 Se\n0.872025 0.656160 0.299754 Se\n0.115185 0.378726 0.969770 Se\n0.568243 0.187891 0.681383 Se\n0.145205 0.647393 0.266803 Se\n0.994978 0.487310 0.174739 Se\n0.172222 0.690137 0.470294 Se\n0.123683 0.123683 0.431695 Se\n0.131211 0.854400 0.181832 Se\n0.820488 0.553803 0.944828 Se\n0.827778 0.309863 0.970294 Se\n0.876317 0.876317 0.931695 Se\n0.077935 0.596505 0.551349 Se\n0.365041 0.610580 0.997100 Se\n0.162549 0.379321 0.285500 Se\n","nsites":160,"nelements":3,"elements":["K","Mo","Se"],"chemical_system":"K-Mo-Se","density":4.376606602308686,"density_atomic":0.03489650196673621,"volume":4584.986774677704,"volume_molar":17.25714733740471,"formula_full":"K24 Mo24 Se112","formula_reduced":"K3Mo3Se14","formula_anonymous":"A3B3C14","energy":-824.0272598399999,"energy_per_atom":-5.150170374,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-771.16325984,"band_gap":0.8907000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":7e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:37:41.414000Z","spacegroup":36},{"id":"mp-1199716","created_at":"2022-09-04T14:46:38.856390Z","structure_string":"Si8 H64 C8 N32 F48\n1.0\n7.620110 0.000000 0.000000\n0.000000 10.518487 0.000000\n0.000000 0.000000 17.952000\nSi H C N F\n8 64 8 32 48\ndirect\n0.111980 0.450997 0.133937 Si\n0.111980 0.049003 0.366063 Si\n0.388020 0.950997 0.866063 Si\n0.388020 0.549003 0.633937 Si\n0.888020 0.549003 0.866063 Si\n0.888020 0.950997 0.633937 Si\n0.611980 0.049003 0.133937 Si\n0.611980 0.450997 0.366063 Si\n0.522152 0.759865 0.163799 H\n0.522152 0.740135 0.336201 H\n0.977848 0.259865 0.836201 H\n0.977848 0.240135 0.663799 H\n0.477848 0.240135 0.836201 H\n0.477848 0.259865 0.663799 H\n0.022152 0.740135 0.163799 H\n0.022152 0.759865 0.336201 H\n0.475255 0.608757 0.198161 H\n0.475255 0.891243 0.301839 H\n0.024745 0.108757 0.801839 H\n0.024745 0.391243 0.698161 H\n0.524745 0.391243 0.801839 H\n0.524745 0.108757 0.698161 H\n0.975255 0.891243 0.198161 H\n0.975255 0.608757 0.301839 H\n0.632511 0.784695 0.045948 H\n0.632511 0.715305 0.454052 H\n0.867489 0.284695 0.954052 H\n0.867489 0.215305 0.545948 H\n0.367489 0.215305 0.954052 H\n0.367489 0.284695 0.545948 H\n0.132511 0.715305 0.045948 H\n0.132511 0.784695 0.454052 H\n0.692423 0.652343 0.993103 H\n0.692423 0.847657 0.506897 H\n0.807577 0.152343 0.006897 H\n0.807577 0.347657 0.493103 H\n0.307577 0.347657 0.006897 H\n0.307577 0.152343 0.493103 H\n0.192423 0.847657 0.993103 H\n0.192423 0.652343 0.506897 H\n0.730485 0.460145 0.055709 H\n0.730485 0.039855 0.444291 H\n0.769515 0.960145 0.944291 H\n0.769515 0.539855 0.555709 H\n0.269515 0.539855 0.944291 H\n0.269515 0.960145 0.555709 H\n0.230485 0.039855 0.055709 H\n0.230485 0.460145 0.444291 H\n0.497867 0.390590 0.171818 H\n0.497867 0.109410 0.328182 H\n0.002133 0.890590 0.828182 H\n0.002133 0.609410 0.671818 H\n0.502133 0.609410 0.828182 H\n0.502133 0.890590 0.671818 H\n0.997867 0.109410 0.171818 H\n0.997867 0.390590 0.328182 H\n0.684418 0.320962 0.142158 H\n0.684418 0.179038 0.357842 H\n0.815582 0.820962 0.857842 H\n0.815582 0.679038 0.642158 H\n0.315582 0.679038 0.857842 H\n0.315582 0.820962 0.642158 H\n0.184418 0.179038 0.142158 H\n0.184418 0.320962 0.357842 H\n0.695916 0.447459 0.200789 H\n0.695916 0.052541 0.299211 H\n0.804084 0.947459 0.799211 H\n0.804084 0.552541 0.700789 H\n0.304084 0.552541 0.799211 H\n0.304084 0.947459 0.700789 H\n0.195916 0.052541 0.200789 H\n0.195916 0.447459 0.299211 H\n0.609173 0.615251 0.099810 C\n0.609173 0.884749 0.400190 C\n0.890827 0.115251 0.900190 C\n0.890827 0.384749 0.599810 C\n0.390827 0.384749 0.900190 C\n0.390827 0.115251 0.599810 C\n0.109173 0.884749 0.099810 C\n0.109173 0.615251 0.400190 C\n0.548536 0.663912 0.163416 N\n0.548536 0.836088 0.336584 N\n0.951464 0.163912 0.836584 N\n0.951464 0.336088 0.663416 N\n0.451464 0.336088 0.836584 N\n0.451464 0.163912 0.663416 N\n0.048536 0.836088 0.163416 N\n0.048536 0.663912 0.336584 N\n0.650186 0.688650 0.042676 N\n0.650186 0.811350 0.457324 N\n0.849814 0.188650 0.957324 N\n0.849814 0.311350 0.542676 N\n0.349814 0.311350 0.957324 N\n0.349814 0.188650 0.542676 N\n0.150186 0.811350 0.042676 N\n0.150186 0.688650 0.457324 N\n0.631086 0.486887 0.091140 N\n0.631086 0.013113 0.408860 N\n0.868914 0.986887 0.908860 N\n0.868914 0.513113 0.591140 N\n0.368914 0.513113 0.908860 N\n0.368914 0.986887 0.591140 N\n0.131086 0.013113 0.091140 N\n0.131086 0.486887 0.408860 N\n0.626455 0.408921 0.155823 N\n0.626455 0.091079 0.344177 N\n0.873545 0.908921 0.844177 N\n0.873545 0.591079 0.655823 N\n0.373545 0.591079 0.844177 N\n0.373545 0.908921 0.655823 N\n0.126455 0.091079 0.155823 N\n0.126455 0.408921 0.344177 N\n0.224897 0.540667 0.070387 F\n0.224897 0.959333 0.429613 F\n0.275103 0.040667 0.929613 F\n0.275103 0.459333 0.570387 F\n0.775103 0.459333 0.929613 F\n0.775103 0.040667 0.570387 F\n0.724897 0.959333 0.070387 F\n0.724897 0.540667 0.429613 F\n0.976227 0.395548 0.066205 F\n0.976227 0.104452 0.433795 F\n0.523773 0.895548 0.933795 F\n0.523773 0.604452 0.566205 F\n0.023773 0.604452 0.933795 F\n0.023773 0.895548 0.566205 F\n0.476227 0.104452 0.066205 F\n0.476227 0.395548 0.433795 F\n0.258563 0.325426 0.116530 F\n0.258563 0.174574 0.383470 F\n0.241437 0.825426 0.883470 F\n0.241437 0.674574 0.616530 F\n0.741437 0.674574 0.883470 F\n0.741437 0.825426 0.616530 F\n0.758563 0.174574 0.116530 F\n0.758563 0.325426 0.383470 F\n0.255134 0.502992 0.203607 F\n0.255134 0.997008 0.296393 F\n0.244866 0.002992 0.796393 F\n0.244866 0.497008 0.703607 F\n0.744866 0.497008 0.796393 F\n0.744866 0.002992 0.703607 F\n0.755134 0.997008 0.203607 F\n0.755134 0.502992 0.296393 F\n0.007931 0.360002 0.198344 F\n0.007931 0.139998 0.301656 F\n0.492069 0.860002 0.801656 F\n0.492069 0.639998 0.698344 F\n0.992069 0.639998 0.801656 F\n0.992069 0.860002 0.698344 F\n0.507931 0.139998 0.198344 F\n0.507931 0.360002 0.301656 F\n0.974528 0.577201 0.152401 F\n0.974528 0.922799 0.347599 F\n0.525472 0.077201 0.847599 F\n0.525472 0.422799 0.652401 F\n0.025472 0.422799 0.847599 F\n0.025472 0.077201 0.652401 F\n0.474528 0.922799 0.152401 F\n0.474528 0.577201 0.347599 F\n","nsites":160,"nelements":5,"elements":["Si","H","C","N","F"],"chemical_system":"C-F-H-N-Si","density":2.0142834037055475,"density_atomic":0.11119688667663448,"volume":1438.8892061815288,"volume_molar":5.4157458360436435,"formula_full":"Si8 H64 C8 N32 F48","formula_reduced":"SiH8C(N2F3)2","formula_anonymous":"ABC4D6E8","energy":-930.11971893,"energy_per_atom":-5.8132482433125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-896.39171893,"band_gap":5.4037,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.803000Z","spacegroup":56},{"id":"mp-1205011","created_at":"2022-09-04T14:46:32.866327Z","structure_string":"Sr8 H48 Cl16 O88\n1.0\n13.723215 0.000000 0.000000\n0.000000 9.325179 0.000000\n0.000000 7.725294 14.949036\nSr H Cl O\n8 48 16 88\ndirect\n0.239380 0.016902 0.661023 Sr\n0.260620 0.016902 0.161023 Sr\n0.760620 0.983098 0.338977 Sr\n0.739380 0.983098 0.838977 Sr\n0.261800 0.508420 0.664688 Sr\n0.238200 0.508420 0.164688 Sr\n0.738200 0.491580 0.335312 Sr\n0.761800 0.491580 0.835312 Sr\n0.051915 0.498486 0.590987 H\n0.448085 0.498486 0.090987 H\n0.948085 0.501514 0.409013 H\n0.551915 0.501514 0.909013 H\n0.119573 0.480943 0.520939 H\n0.380427 0.480943 0.020939 H\n0.880427 0.519057 0.479061 H\n0.619573 0.519057 0.979061 H\n0.444552 0.936524 0.602614 H\n0.055448 0.936524 0.102614 H\n0.555448 0.063476 0.397386 H\n0.944552 0.063476 0.897386 H\n0.386269 0.040509 0.514518 H\n0.113731 0.040509 0.014518 H\n0.613731 0.959491 0.485482 H\n0.886269 0.959491 0.985482 H\n0.121972 0.208122 0.731474 H\n0.378028 0.208122 0.231474 H\n0.878028 0.791878 0.268526 H\n0.621972 0.791878 0.768526 H\n0.208644 0.145192 0.799700 H\n0.291356 0.145192 0.299700 H\n0.791356 0.854808 0.200300 H\n0.708644 0.854808 0.700300 H\n0.098226 0.822877 0.593684 H\n0.401774 0.822877 0.093684 H\n0.901774 0.177123 0.406316 H\n0.598226 0.177123 0.906316 H\n0.183997 0.872944 0.525190 H\n0.316003 0.872944 0.025190 H\n0.816003 0.127056 0.474810 H\n0.683997 0.127056 0.974810 H\n0.264417 0.658348 0.798303 H\n0.235583 0.658348 0.298303 H\n0.735583 0.341652 0.201697 H\n0.764417 0.341652 0.701697 H\n0.366606 0.702296 0.752989 H\n0.133394 0.702296 0.252989 H\n0.633394 0.297704 0.247011 H\n0.866606 0.297704 0.747011 H\n0.350362 0.366809 0.534043 H\n0.149638 0.366809 0.034043 H\n0.649638 0.633191 0.465957 H\n0.850362 0.633191 0.965957 H\n0.411071 0.269737 0.619133 H\n0.088929 0.269737 0.119133 H\n0.588929 0.730263 0.380867 H\n0.911071 0.730263 0.880867 H\n0.053026 0.413567 0.845813 Cl\n0.446974 0.413567 0.345813 Cl\n0.946974 0.586433 0.154187 Cl\n0.553026 0.586433 0.654187 Cl\n0.131937 0.287198 0.417447 Cl\n0.368063 0.287198 0.917447 Cl\n0.868063 0.712802 0.582553 Cl\n0.631937 0.712802 0.082553 Cl\n0.460384 0.903620 0.821063 Cl\n0.039616 0.903620 0.321063 Cl\n0.539616 0.096380 0.178937 Cl\n0.960384 0.096380 0.678937 Cl\n0.338386 0.817299 0.418170 Cl\n0.161614 0.817299 0.918170 Cl\n0.661614 0.182701 0.581830 Cl\n0.838386 0.182701 0.081830 Cl\n0.119054 0.476720 0.580081 O\n0.380946 0.476720 0.080081 O\n0.880946 0.523280 0.419919 O\n0.619054 0.523280 0.919919 O\n0.186322 0.817056 0.833451 O\n0.313678 0.817056 0.333451 O\n0.813678 0.182944 0.166549 O\n0.686322 0.182944 0.666549 O\n0.379711 0.977031 0.579249 O\n0.120289 0.977031 0.079249 O\n0.620289 0.022969 0.420751 O\n0.879711 0.022969 0.920751 O\n0.186924 0.318476 0.336757 O\n0.313076 0.318476 0.836757 O\n0.813076 0.681524 0.663243 O\n0.686924 0.681524 0.163243 O\n0.389945 0.025401 0.764036 O\n0.110055 0.025401 0.264036 O\n0.610055 0.974599 0.235964 O\n0.889945 0.974599 0.735964 O\n0.193819 0.200561 0.735330 O\n0.306181 0.200561 0.235330 O\n0.806181 0.799439 0.264670 O\n0.693819 0.799439 0.764670 O\n0.169389 0.827077 0.589494 O\n0.330611 0.827077 0.089494 O\n0.830611 0.172923 0.410506 O\n0.669389 0.172923 0.910506 O\n0.296768 0.701782 0.740034 O\n0.203232 0.701782 0.240034 O\n0.703232 0.298218 0.259966 O\n0.796768 0.298218 0.759966 O\n0.344438 0.306053 0.599357 O\n0.155562 0.306053 0.099357 O\n0.655562 0.693947 0.400643 O\n0.844438 0.693947 0.900643 O\n0.199360 0.219888 0.493681 O\n0.300640 0.219888 0.993681 O\n0.800640 0.780112 0.506319 O\n0.699360 0.780112 0.006319 O\n0.104681 0.499258 0.760085 O\n0.395319 0.499258 0.260085 O\n0.895319 0.500742 0.239915 O\n0.604681 0.500742 0.739915 O\n0.304416 0.665480 0.491762 O\n0.195584 0.665480 0.991762 O\n0.695584 0.334520 0.508238 O\n0.804416 0.334520 0.008238 O\n0.949083 0.450612 0.828225 O\n0.550917 0.450612 0.328225 O\n0.050917 0.549388 0.171775 O\n0.449083 0.549388 0.671775 O\n0.287615 0.952049 0.422685 O\n0.212385 0.952049 0.922685 O\n0.712385 0.047951 0.577315 O\n0.787615 0.047951 0.077315 O\n0.418996 0.802074 0.907689 O\n0.081004 0.802074 0.407689 O\n0.581004 0.197926 0.092311 O\n0.918996 0.197926 0.592311 O\n0.093585 0.440494 0.409641 O\n0.406415 0.440494 0.909641 O\n0.906415 0.559506 0.590359 O\n0.593585 0.559506 0.090359 O\n0.547622 0.985248 0.829789 O\n0.952378 0.985248 0.329789 O\n0.452378 0.014752 0.170211 O\n0.047622 0.014752 0.670211 O\n0.487875 0.804931 0.776133 O\n0.012125 0.804931 0.276133 O\n0.512125 0.195069 0.223867 O\n0.987875 0.195069 0.723867 O\n0.067629 0.240311 0.881409 O\n0.432371 0.240311 0.381409 O\n0.932371 0.759689 0.118591 O\n0.567629 0.759689 0.618591 O\n0.053591 0.174762 0.430546 O\n0.446409 0.174762 0.930546 O\n0.946409 0.825238 0.569454 O\n0.553591 0.825238 0.069454 O\n0.442580 0.833762 0.423856 O\n0.057420 0.833762 0.923856 O\n0.557420 0.166238 0.576144 O\n0.942580 0.166238 0.076144 O\n0.088290 0.469729 0.907894 O\n0.411710 0.469729 0.407894 O\n0.911710 0.530271 0.092106 O\n0.588290 0.530271 0.592106 O\n","nsites":160,"nelements":4,"elements":["Sr","H","Cl","O"],"chemical_system":"Cl-H-O-Sr","density":2.364914624906901,"density_atomic":0.08363609562154714,"volume":1913.0496086761282,"volume_molar":7.200408765194101,"formula_full":"Sr8 H48 Cl16 O88","formula_reduced":"SrH6Cl2O11","formula_anonymous":"AB2C6D11","energy":-828.98463621,"energy_per_atom":-5.181153976312499,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-768.52863621,"band_gap":5.314500000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:30.335000Z","spacegroup":14},{"id":"mp-532220","created_at":"2022-09-04T14:46:34.188141Z","structure_string":"Dy16 Cr48 S96\n1.0\n10.697253 0.000000 0.000000\n0.000000 12.656194 0.000000\n0.000000 0.000000 21.691411\nDy Cr S\n16 48 96\ndirect\n0.083099 0.164423 0.492856 Dy\n0.083774 0.000337 0.743231 Dy\n0.083407 0.162387 0.993316 Dy\n0.249810 0.663090 0.508241 Dy\n0.250190 0.663090 0.008241 Dy\n0.416226 0.000337 0.243231 Dy\n0.416593 0.162387 0.493316 Dy\n0.416901 0.164423 0.992856 Dy\n0.583407 0.662387 0.506684 Dy\n0.583774 0.500337 0.756769 Dy\n0.583099 0.664423 0.007144 Dy\n0.750190 0.163090 0.491759 Dy\n0.749810 0.163090 0.991759 Dy\n0.916226 0.500337 0.256769 Dy\n0.916901 0.664423 0.507144 Dy\n0.916593 0.662387 0.006684 Dy\n0.083854 0.426969 0.418166 Cr\n0.083377 0.223903 0.652821 Cr\n0.081242 0.947326 0.396099 Cr\n0.083457 0.427279 0.915360 Cr\n0.080586 0.212964 0.155092 Cr\n0.083147 0.943951 0.900521 Cr\n0.081016 0.738657 0.172350 Cr\n0.250806 0.927946 0.582326 Cr\n0.249194 0.927946 0.082326 Cr\n0.252219 0.712463 0.344807 Cr\n0.247781 0.712463 0.844807 Cr\n0.248504 0.447932 0.603851 Cr\n0.251496 0.447932 0.103851 Cr\n0.251698 0.238749 0.327255 Cr\n0.248302 0.238749 0.827255 Cr\n0.418984 0.738657 0.672350 Cr\n0.416645 0.736283 0.172030 Cr\n0.416853 0.943951 0.400521 Cr\n0.418758 0.947326 0.896099 Cr\n0.419414 0.212964 0.655092 Cr\n0.416623 0.223903 0.152821 Cr\n0.416543 0.427279 0.415360 Cr\n0.416146 0.426969 0.918166 Cr\n0.581016 0.238657 0.327650 Cr\n0.580586 0.712964 0.344908 Cr\n0.583355 0.236283 0.827970 Cr\n0.583457 0.927279 0.584640 Cr\n0.583147 0.443951 0.599479 Cr\n0.583377 0.723903 0.847179 Cr\n0.581242 0.447326 0.103901 Cr\n0.583854 0.926969 0.081834 Cr\n0.749194 0.427946 0.417674 Cr\n0.750806 0.427946 0.917674 Cr\n0.747781 0.212463 0.655193 Cr\n0.752219 0.212463 0.155193 Cr\n0.751496 0.947932 0.396149 Cr\n0.748504 0.947932 0.896149 Cr\n0.751698 0.738749 0.172745 Cr\n0.748302 0.738749 0.672745 Cr\n0.916645 0.236283 0.327970 Cr\n0.918984 0.238657 0.827650 Cr\n0.918758 0.447326 0.603901 Cr\n0.916853 0.443951 0.099479 Cr\n0.916623 0.723903 0.347179 Cr\n0.919414 0.712964 0.844908 Cr\n0.916146 0.926969 0.581834 Cr\n0.916543 0.927279 0.084640 Cr\n0.083355 0.736283 0.672030 Cr\n0.083508 0.124404 0.363224 S\n0.082215 0.363756 0.315010 S\n0.079883 0.672544 0.276758 S\n0.083181 0.044629 0.606285 S\n0.082549 0.494904 0.526345 S\n0.083846 0.759739 0.421624 S\n0.083524 0.405153 0.670529 S\n0.083599 0.118920 0.855205 S\n0.083452 0.800225 0.566773 S\n0.083498 0.670892 0.776292 S\n0.082806 0.046242 0.102012 S\n0.082623 0.495402 0.025284 S\n0.079898 0.400786 0.169071 S\n0.081994 0.798945 0.066971 S\n0.249262 0.863862 0.685136 S\n0.250738 0.863862 0.185136 S\n0.249849 0.546030 0.398698 S\n0.250151 0.546030 0.898698 S\n0.253176 0.900567 0.330765 S\n0.246824 0.900567 0.830765 S\n0.250476 0.624399 0.637466 S\n0.249524 0.624399 0.137466 S\n0.247038 0.173216 0.722920 S\n0.252962 0.173216 0.222920 S\n0.250986 0.298522 0.432469 S\n0.249014 0.298522 0.932469 S\n0.250655 0.260435 0.578053 S\n0.249345 0.260435 0.078053 S\n0.249768 0.996069 0.474868 S\n0.250232 0.996069 0.974868 S\n0.417377 0.495402 0.525284 S\n0.417451 0.494904 0.026345 S\n0.416507 0.757331 0.420908 S\n0.416154 0.759739 0.921624 S\n0.418006 0.798945 0.566971 S\n0.416548 0.800225 0.066773 S\n0.416502 0.670892 0.276292 S\n0.420117 0.672544 0.776758 S\n0.416401 0.118920 0.355205 S\n0.416492 0.124404 0.863224 S\n0.420102 0.400786 0.669071 S\n0.416476 0.405153 0.170529 S\n0.417194 0.046242 0.602012 S\n0.416819 0.044629 0.106285 S\n0.416368 0.361556 0.313753 S\n0.417785 0.363756 0.815010 S\n0.582806 0.546242 0.397988 S\n0.583181 0.544629 0.893715 S\n0.583508 0.624404 0.136776 S\n0.583599 0.618920 0.644795 S\n0.579898 0.900786 0.330929 S\n0.583493 0.257331 0.579092 S\n0.581994 0.298945 0.433029 S\n0.583524 0.905153 0.829471 S\n0.582623 0.995402 0.474716 S\n0.583498 0.170892 0.723708 S\n0.583452 0.300225 0.933227 S\n0.583846 0.259739 0.078376 S\n0.579883 0.172544 0.223242 S\n0.582549 0.994904 0.973655 S\n0.582215 0.863756 0.184990 S\n0.583632 0.861556 0.686247 S\n0.750738 0.363862 0.314864 S\n0.749262 0.363862 0.814864 S\n0.750151 0.046030 0.601302 S\n0.749849 0.046030 0.101302 S\n0.746824 0.400567 0.669235 S\n0.753176 0.400567 0.169235 S\n0.749524 0.124399 0.362534 S\n0.750476 0.124399 0.862534 S\n0.752962 0.673216 0.277080 S\n0.747038 0.673216 0.777080 S\n0.749014 0.798522 0.567531 S\n0.750986 0.798522 0.067531 S\n0.749345 0.760435 0.421947 S\n0.750655 0.760435 0.921947 S\n0.750232 0.496069 0.525132 S\n0.749768 0.496069 0.025132 S\n0.917451 0.994904 0.473655 S\n0.917377 0.995402 0.974716 S\n0.916154 0.259739 0.578376 S\n0.916507 0.257331 0.079092 S\n0.916548 0.300225 0.433227 S\n0.918006 0.298945 0.933029 S\n0.920117 0.172544 0.723242 S\n0.916502 0.170892 0.223708 S\n0.916492 0.624404 0.636776 S\n0.916401 0.618920 0.144795 S\n0.916476 0.905153 0.329471 S\n0.920102 0.900786 0.830929 S\n0.916819 0.544629 0.393715 S\n0.917194 0.546242 0.897988 S\n0.917785 0.863756 0.684990 S\n0.916368 0.861556 0.186247 S\n0.083632 0.361556 0.813753 S\n0.083493 0.757331 0.920908 S\n","nsites":160,"nelements":3,"elements":["Dy","Cr","S"],"chemical_system":"Cr-Dy-S","density":4.621929771281734,"density_atomic":0.05448247004249743,"volume":2936.724415673459,"volume_molar":11.053354877821452,"formula_full":"Dy16 Cr48 S96","formula_reduced":"Dy(CrS2)3","formula_anonymous":"AB3C6","energy":-1144.49070682,"energy_per_atom":-7.153066917625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1096.20270682,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":143.0658052,"is_theoretical":true,"updated_at":"2021-11-28T01:37:40.302000Z","spacegroup":33}]}